Vitas-M small molecule compound

5-{[({[(3E,8xi,9xi,14xi)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]amino}pentanoic acid

Catalog ID
STL526328
SMILES O=C(CO/N=C/1\CC[C@]2(C(=C1)CCC1C2CC[C@]2(C1CCC2O)C)C)NCCCCC(=O)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H40N2O5 MW 460.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H40N2O5/c1-25-12-10-18(28-33-16-23(30)27-14-4-3-5-24(31)32)15-17(25)6-7-19-20-8-9-22(29)26(20,2)13-11-21(19)25/h15,19-22,29H,3-14,16H2,1-2H3,(H,27,30)(H,31,32)/b28-18+/t19?,20?,21?,22?,25-,26-/m0/s1
InChIKey
YVWODNONGPVXJE-AIUBJISZSA-N
Synonyms

44712072
5((((((3E8xi9xi14xi)17hydroxyandrost4en3ylidene)amino)oxy)acetyl)amino)pentanoicacid
5((2((~(E))((10~(R)13~(S))17hydroxy1013dimethyl126789111214151617dodecahydrocyclopenta(a)phenanthren3ylidene)amino)oxyacetyl)amino)pentanoicacid
5(2(((E)((8R9S10R13S14S17R)17hydroxy1013dimethyl78911121314151617decahydro1Hcyclopenta(a)phenanthren3(2H6H10H)ylidene)amino)oxy)acetamido)pentanoicacid
InChI=1SC26H40N2O5c125121018(28331623(30)271443524(31)32)1517(25)6719208922(29)26(202)131121(19)25h15192229H31416H212H3(H2730)(H3132)b2818+t19?20?21?22?2526m0s1
MFCD02925633
O=C(CON=C1CC(C@)2(C(=C1)CC(C@@H)1(C@@H)2CC(C@)2((C@H)1CC(C@H)2O)C)C)NCCCCC(=O)O
ZINC000039546553
ZINC001772492122

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Available files

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